N-(10-benzyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-3,4-dihydroisoquinoline-2(1H)-carboxamide
Chemical Structure Depiction of
N-(10-benzyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-3,4-dihydroisoquinoline-2(1H)-carboxamide
N-(10-benzyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-3,4-dihydroisoquinoline-2(1H)-carboxamide
Compound characteristics
| Compound ID: | E006-0560 |
| Compound Name: | N-(10-benzyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-3,4-dihydroisoquinoline-2(1H)-carboxamide |
| Molecular Weight: | 491.61 |
| Molecular Formula: | C30 H25 N3 O2 S |
| Smiles: | C1CN(Cc2ccccc12)C(Nc1ccc2c(c1)N(Cc1ccccc1)C(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5702 |
| logD: | 6.5702 |
| logSw: | -6.1018 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.532 |
| InChI Key: | BNZFYSSKQZDHPY-UHFFFAOYSA-N |